N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclopentanecarboxamide

C18H24N6O — CID 134803505

IUPACN-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclopentanecarboxamide
SMILESO=C(NC1CCN(c2ccc3nnc(C4CC4)n3n2)C1)C1CCCC1
InChIInChI=1S/C18H24N6O/c25-18(13-3-1-2-4-13)19-14-9-10-23(11-14)16-8-7-15-20-21-17(12-5-6-12)24(15)22-16/h7-8,12-14H,1-6,9-11H2,(H,19,25)
InChIKeyRSWHZYLRAGHBFA-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.89
Rot. Bonds4

About N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclopentanecarboxamide

N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclopentanecarboxamide (PubChem CID 134803505) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclopentanecarboxamide
PubChem CID134803505
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC NameN-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclopentanecarboxamide
SMILESO=C(NC1CCN(c2ccc3nnc(C4CC4)n3n2)C1)C1CCCC1
InChIInChI=1S/C18H24N6O/c25-18(13-3-1-2-4-13)19-14-9-10-23(11-14)16-8-7-15-20-21-17(12-5-6-12)24(15)22-16/h7-8,12-14H,1-6,9-11H2,(H,19,25)
InChIKeyRSWHZYLRAGHBFA-UHFFFAOYSA-N
XLogP1.89
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclopentanecarboxamide?
The IUPAC name of N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclopentanecarboxamide (CID 134803505) is N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclopentanecarboxamide is O=C(NC1CCN(c2ccc3nnc(C4CC4)n3n2)C1)C1CCCC1.
What is the InChIKey of N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclopentanecarboxamide?
The InChIKey is RSWHZYLRAGHBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c25-18(13-3-1-2-4-13)19-14-9-10-23(11-14)16-8-7-15-20-21-17(12-5-6-12)24(15)22-16/h7-8,12-14H,1-6,9-11H2,(H,19,25).
What are the key properties of N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclopentanecarboxamide?
N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclopentanecarboxamide has a molecular weight of 340.43 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclopentanecarboxamide is sourced from PubChem (CID 134803505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).